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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: [4-(2-furylmethylamino)-5-methyl-thieno[3,4-d]pyrimidin-7-yl]-pyrrolidin-1-yl-methanone [4-(2-furylmethylamino)-5-methyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.04 7.95 -22.33 1 6 0 71 342.424 4 ↓

Analogs

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Popular Name: [4-[(4-fluorophenyl)methylamino]-5-methyl-thieno[3,4-d]pyrimidin-7-yl]-pyrrolidin-1-yl-methanone [4-[(4-fluorophenyl)methylamino]…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.95 9.89 -22.3 1 5 0 58 370.453 4 ↓

Analogs

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Popular Name: [4-[(3-chlorophenyl)methylamino]-5-methyl-thieno[3,4-d]pyrimidin-7-yl]-pyrrolidin-1-yl-methanone [4-[(3-chlorophenyl)methylamino]…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.44 10.34 -22.02 1 5 0 58 386.908 4 ↓

Analogs

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Popular Name: [4-[(2-chlorophenyl)methylamino]-5-methyl-thieno[3,4-d]pyrimidin-7-yl]-pyrrolidin-1-yl-methanone [4-[(2-chlorophenyl)methylamino]…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.41 10.24 -22.21 1 5 0 58 386.908 4 ↓

Analogs

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Popular Name: [4-[(4-chlorophenyl)methylamino]-5-methyl-thieno[3,4-d]pyrimidin-7-yl]-pyrrolidin-1-yl-methanone [4-[(4-chlorophenyl)methylamino]…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.46 10.35 -21.77 1 5 0 58 386.908 4 ↓

Analogs

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Popular Name: [4-[2-(3,4-dimethoxyphenyl)ethylamino]-5-methyl-thieno[3,4-d]pyrimidin-7-yl]-pyrrolidin-1-yl-methano [4-[2-(3,4-dimethoxyphenyl)ethyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.84 9.8 -28.99 1 7 0 77 426.542 7 ↓

Analogs

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Popular Name: [4-[(4-methoxyphenyl)methylamino]-5-methyl-thieno[3,4-d]pyrimidin-7-yl]-pyrrolidin-1-yl-methanone [4-[(4-methoxyphenyl)methylamino…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.84 9.13 -22.8 1 6 0 67 382.489 5 ↓

Analogs

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Popular Name: [5-methyl-4-(2-thienylmethylamino)thieno[3,4-d]pyrimidin-7-yl]-pyrrolidin-1-yl-methanone [5-methyl-4-(2-thienylmethylamin…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.68 8.94 -21.53 1 5 0 58 358.492 4 ↓

Analogs

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Popular Name: [4-[(2-fluorophenyl)methylamino]-5-methyl-thieno[3,4-d]pyrimidin-7-yl]-pyrrolidin-1-yl-methanone [4-[(2-fluorophenyl)methylamino]…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.90 9.86 -23.08 1 5 0 58 370.453 4 ↓

Analogs

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Popular Name: [5-methyl-4-[(5-methyl-2-furyl)methylamino]thieno[3,4-d]pyrimidin-7-yl]-pyrrolidin-1-yl-methanone [5-methyl-4-[(5-methyl-2-furyl)m…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.26 8.8 -22.27 1 6 0 71 356.451 4 ↓

Analogs

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Popular Name: [4-[(3-chloro-4-fluoro-phenyl)methylamino]-5-methyl-thieno[3,4-d]pyrimidin-7-yl]-pyrrolidin-1-yl-met [4-[(3-chloro-4-fluoro-phenyl)me…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.55 10.39 -23.15 1 5 0 58 404.898 4 ↓

Analogs

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Popular Name: [4-[(3,5-difluorophenyl)methylamino]-5-methyl-thieno[3,4-d]pyrimidin-7-yl]-pyrrolidin-1-yl-methanone [4-[(3,5-difluorophenyl)methylam…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.04 9.96 -22.03 1 5 0 58 388.443 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[(2-chloro-4-fluoro-phenyl)methylamino]-5-methyl-thieno[3,4-d]pyrimidin-7-yl]-pyrrolidin-1-yl-met [4-[(2-chloro-4-fluoro-phenyl)me…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.55 10.31 -22.07 1 5 0 58 404.898 4 ↓

Parameters Provided:

ring.id = 386210
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 386210 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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